3-[5-(4-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate

Systemtic Name: 3-[5-(4-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-1,2,3-triazol-1-yl]benzoate Openeye Name: 3-[5-(4-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-triazol-1-yl]benzoate CAS Name: 3-[5-(4-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-1-triazolyl]benzoate IUPAC Name: 3-[5-(4-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyltriazol-1-yl]benzoate Traditional Name: 3-[5-(4-bromophenyl)-4-(3,4-dimethylphenyl)sulfonyl-triazol-1-yl]benzoate Formula: C23H17BrN3O4S- MolecularWeight: 511.36778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)[O-])C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C23H18BrN3O4S/c1-14-6-11-20(12-15(14)2)32(30,31)22-21(16-7-9-18(24)10-8-16)27(26-25-22)19-5-3-4-17(13-19)23(28)29/h3-13H,1-2H3,(H,28,29)/p-1